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2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5'-bis-(cyclopropanecarboxylate), compound with hydrogen tetrafluoroborate(1:1), monohydrate

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2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5'-bis-(cyclopropanecarboxylate), compound with hydrogen tetrafluoroborate(1:1), monohydrate
SpectraBase Compound ID 4dgkMDEctsA
InChI InChI=1S/C17H19N3O6.BF4.H2O/c18-11-5-6-20-14-13(26-17(20)19-11)12(25-16(22)9-3-4-9)10(24-14)7-23-15(21)8-1-2-8;2-1(3,4)5;/h5-6,8-10,12-14,18H,1-4,7H2;;1H2/q;-1;/t10-,12-,13+,14-;;/m1../s1
InChIKey LPPRWBWAUOOTBR-XWSCHABVSA-N
Mol Weight 467.181 g/mol
Molecular Formula C17H22BF4N3O7
Exact Mass 467.148693 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CuolfNZVr7p
Name 2,2'-ANHYDRO-1-(beta-D-ARABINOFURANOSYL)CYTOSINE, 3',5'-BIS(CYCLOPROPANECARBOXYLATE), COMPOUND WITH HYDROGEN TETRAFLUOROBORATE (1:1), MONOHYDRATE
Source of Sample K. Kondo, Tanabe Seiyaku Company Ltd., Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22BF4N3O7
InChI InChI=1S/C17H19N3O6.BF4.H2O/c18-11-5-6-20-14-13(26-17(20)19-11)12(25-16(22)9-3-4-9)10(24-14)7-23-15(21)8-1-2-8;2-1(3,4)5;/h5-6,8-10,12-14,18H,1-4,7H2;;1H2/q;-1;/t10-,12-,13+,14-;;/m1../s1
InChIKey LPPRWBWAUOOTBR-XWSCHABVSA-N
Literature Reference J. ORG. CHEM. 42, 2809(1977) Abstract-Chemical Abstracts= 87, 118032(1977)
Melting Point 221-223C
Molecular Weight 467.181 g/mol
Synonyms CYTOSINE, 2,2*-ANHYDRO-1-/B-D- ARABINOFURANOSYL/-, 3*,5*-BIS/CYCLO- PROPANECARBOXYLATE/, CMPD WITH HYDROGEN TETRAFLUOROBORATE /1 TO 1/, MONOHYDRATE
Technique KBr WAFER